1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine

C13H22N2 — CID 142544822

IUPAC1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine
SMILESC=C(C)/C=C\C(=C)CN1CCN(C)CC1
InChIInChI=1S/C13H22N2/c1-12(2)5-6-13(3)11-15-9-7-14(4)8-10-15/h5-6H,1,3,7-11H2,2,4H3/b6-5-
InChIKeyIJLQGODOTPFISD-WAYWQWQTSA-N
MW206.33 g/mol
LogP1.92
Rot. Bonds4

About 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine

1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine (PubChem CID 142544822) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine
PubChem CID142544822
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine
SMILESC=C(C)/C=C\C(=C)CN1CCN(C)CC1
InChIInChI=1S/C13H22N2/c1-12(2)5-6-13(3)11-15-9-7-14(4)8-10-15/h5-6H,1,3,7-11H2,2,4H3/b6-5-
InChIKeyIJLQGODOTPFISD-WAYWQWQTSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine?
The IUPAC name of 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine (CID 142544822) is 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine?
The canonical SMILES for 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine is C=C(C)/C=C\C(=C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine?
The InChIKey is IJLQGODOTPFISD-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2)5-6-13(3)11-15-9-7-14(4)8-10-15/h5-6H,1,3,7-11H2,2,4H3/b6-5-.
What are the key properties of 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine?
1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine has a molecular weight of 206.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine is sourced from PubChem (CID 142544822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).